TL;DR: Adenosine, 4',5'-didehydro-5'-deoxy-5',5'-difluoro- (CAS 122261-61-4) is a chemical compound with molecular formula C10H9F2N5O3 and molecular weight 285.06735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol
Also Known As: Adenosine, 4',5'-didehydro-5'-deoxy-5',5'-difluoro-, (2R,3R,4S)-2-(6-aminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol
| Molecular Formula | C10H9F2N5O3 |
| Molecular Weight | 285.06735 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.06735 Da |
| Heavy Atoms | 20 |
| Complexity | 422.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H](C(=C(F)F)O3)O)O)N |
| InChIKey | WJQFNAMWTYWFPY-LBACSGLVSA-N |
The XLogP value of -1.3 indicates that Adenosine, 4',5'-didehydro-5'-deoxy-5',5'-difluoro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adenosine, 4',5'-didehydro-5'-deoxy-5',5'-difluoro-. Following Lipinski's Rule of Five, Adenosine, 4',5'-didehydro-5'-deoxy-5',5'-difluoro- has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Adenosine, 4',5'-didehydro-5'-deoxy-5',5'-difluoro- is 122261-61-4.
The molecular formula of Adenosine, 4',5'-didehydro-5'-deoxy-5',5'-difluoro- is C10H9F2N5O3.
The molecular weight of Adenosine, 4',5'-didehydro-5'-deoxy-5',5'-difluoro- is 285.06735 g/mol.
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